Experimental and theoretical investigation of the structural, chemical, electronic, and high frequency dielectric properties of barium cadmium tantalate-based ceramics

Shaojun Liu, Richard Taylor, Novak S. Petrovic, Louisa Budd, Mark Van Schilfgaarde, Nathan Newman

Research output: Contribution to journalArticle

16 Citations (Scopus)

Abstract

Single-phase Ba (Cd13 Ta23) O3 powder was produced using conventional solid state reaction methods. Ba (Cd13 Ta23) O3 ceramics with 2 wt % ZnO as sintering additive sintered at 1550 °C exhibited a dielectric constant of ∼32 and loss tangent of 5× 10-5 at 2 GHz. X-ray diffraction and thermogravimetric measurements were used to characterize the structural and thermodynamic properties of the material. Ab initio electronic structure calculations were used to give insight into the unusual properties of Ba (Cd13 Ta23) O3, as well as a similar and more widely used material Ba (Zn13 Ta23) O3. While both compounds have a hexagonal Bravais lattice, the P321 space group of Ba (Cd13 Ta23) O3 is reduced from P 3 m1 of Ba (Zn13 Ta23) O3 as a result of a distortion of oxygen away from the symmetric position between the Ta and Cd ions. Both of the compounds have a conduction band minimum and valence band maximum composed of mostly weakly itinerant Ta 5d and Zn 3dCd 4d levels, respectively. The covalent nature of the directional d -electron bonding in these high- Z oxides plays an important role in producing a more rigid lattice with higher melting points and enhanced phonon energies, and is suggested to play an important role in producing materials with a high dielectric constant and low microwave loss.

Original languageEnglish (US)
Article number014105
JournalJournal of Applied Physics
Volume97
Issue number1
DOIs
StatePublished - Jan 1 2005

Fingerprint

cadmium
barium
dielectric properties
ceramics
permittivity
tangents
electronics
melting points
sintering
conduction bands
thermodynamic properties
electronic structure
solid state
valence
microwaves
oxides
oxygen
diffraction
ions
electrons

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)
  • Physics and Astronomy(all)

Cite this

Experimental and theoretical investigation of the structural, chemical, electronic, and high frequency dielectric properties of barium cadmium tantalate-based ceramics. / Liu, Shaojun; Taylor, Richard; Petrovic, Novak S.; Budd, Louisa; Van Schilfgaarde, Mark; Newman, Nathan.

In: Journal of Applied Physics, Vol. 97, No. 1, 014105, 01.01.2005.

Research output: Contribution to journalArticle

@article{d53ac678c43b420bb39e44ecd433c3e2,
title = "Experimental and theoretical investigation of the structural, chemical, electronic, and high frequency dielectric properties of barium cadmium tantalate-based ceramics",
abstract = "Single-phase Ba (Cd13 Ta23) O3 powder was produced using conventional solid state reaction methods. Ba (Cd13 Ta23) O3 ceramics with 2 wt {\%} ZnO as sintering additive sintered at 1550 °C exhibited a dielectric constant of ∼32 and loss tangent of 5× 10-5 at 2 GHz. X-ray diffraction and thermogravimetric measurements were used to characterize the structural and thermodynamic properties of the material. Ab initio electronic structure calculations were used to give insight into the unusual properties of Ba (Cd13 Ta23) O3, as well as a similar and more widely used material Ba (Zn13 Ta23) O3. While both compounds have a hexagonal Bravais lattice, the P321 space group of Ba (Cd13 Ta23) O3 is reduced from P 3 m1 of Ba (Zn13 Ta23) O3 as a result of a distortion of oxygen away from the symmetric position between the Ta and Cd ions. Both of the compounds have a conduction band minimum and valence band maximum composed of mostly weakly itinerant Ta 5d and Zn 3dCd 4d levels, respectively. The covalent nature of the directional d -electron bonding in these high- Z oxides plays an important role in producing a more rigid lattice with higher melting points and enhanced phonon energies, and is suggested to play an important role in producing materials with a high dielectric constant and low microwave loss.",
author = "Shaojun Liu and Richard Taylor and Petrovic, {Novak S.} and Louisa Budd and {Van Schilfgaarde}, Mark and Nathan Newman",
year = "2005",
month = "1",
day = "1",
doi = "10.1063/1.1823575",
language = "English (US)",
volume = "97",
journal = "Journal of Applied Physics",
issn = "0021-8979",
publisher = "American Institute of Physics Publising LLC",
number = "1",

}

TY - JOUR

T1 - Experimental and theoretical investigation of the structural, chemical, electronic, and high frequency dielectric properties of barium cadmium tantalate-based ceramics

AU - Liu, Shaojun

AU - Taylor, Richard

AU - Petrovic, Novak S.

AU - Budd, Louisa

AU - Van Schilfgaarde, Mark

AU - Newman, Nathan

PY - 2005/1/1

Y1 - 2005/1/1

N2 - Single-phase Ba (Cd13 Ta23) O3 powder was produced using conventional solid state reaction methods. Ba (Cd13 Ta23) O3 ceramics with 2 wt % ZnO as sintering additive sintered at 1550 °C exhibited a dielectric constant of ∼32 and loss tangent of 5× 10-5 at 2 GHz. X-ray diffraction and thermogravimetric measurements were used to characterize the structural and thermodynamic properties of the material. Ab initio electronic structure calculations were used to give insight into the unusual properties of Ba (Cd13 Ta23) O3, as well as a similar and more widely used material Ba (Zn13 Ta23) O3. While both compounds have a hexagonal Bravais lattice, the P321 space group of Ba (Cd13 Ta23) O3 is reduced from P 3 m1 of Ba (Zn13 Ta23) O3 as a result of a distortion of oxygen away from the symmetric position between the Ta and Cd ions. Both of the compounds have a conduction band minimum and valence band maximum composed of mostly weakly itinerant Ta 5d and Zn 3dCd 4d levels, respectively. The covalent nature of the directional d -electron bonding in these high- Z oxides plays an important role in producing a more rigid lattice with higher melting points and enhanced phonon energies, and is suggested to play an important role in producing materials with a high dielectric constant and low microwave loss.

AB - Single-phase Ba (Cd13 Ta23) O3 powder was produced using conventional solid state reaction methods. Ba (Cd13 Ta23) O3 ceramics with 2 wt % ZnO as sintering additive sintered at 1550 °C exhibited a dielectric constant of ∼32 and loss tangent of 5× 10-5 at 2 GHz. X-ray diffraction and thermogravimetric measurements were used to characterize the structural and thermodynamic properties of the material. Ab initio electronic structure calculations were used to give insight into the unusual properties of Ba (Cd13 Ta23) O3, as well as a similar and more widely used material Ba (Zn13 Ta23) O3. While both compounds have a hexagonal Bravais lattice, the P321 space group of Ba (Cd13 Ta23) O3 is reduced from P 3 m1 of Ba (Zn13 Ta23) O3 as a result of a distortion of oxygen away from the symmetric position between the Ta and Cd ions. Both of the compounds have a conduction band minimum and valence band maximum composed of mostly weakly itinerant Ta 5d and Zn 3dCd 4d levels, respectively. The covalent nature of the directional d -electron bonding in these high- Z oxides plays an important role in producing a more rigid lattice with higher melting points and enhanced phonon energies, and is suggested to play an important role in producing materials with a high dielectric constant and low microwave loss.

UR - http://www.scopus.com/inward/record.url?scp=19944431816&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=19944431816&partnerID=8YFLogxK

U2 - 10.1063/1.1823575

DO - 10.1063/1.1823575

M3 - Article

VL - 97

JO - Journal of Applied Physics

JF - Journal of Applied Physics

SN - 0021-8979

IS - 1

M1 - 014105

ER -